diethyl 2-acetamido-2-[(4-fluoranylimidazol-4-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(4-fluoranylimidazol-4-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(4-fluoroimidazol-4-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-fluoro-4-imidazolyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-fluoroimidazol-4-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(4-fluoroimidazol-4-yl)methyl]malonic acid diethyl ester Formula: C13H18FN3O5 MolecularWeight: 315.297523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1(C=NC=N1)F)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1(C=NC=N1)F)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C13H18FN3O5/c1-4-21-10(19)13(17-9(3)18,11(20)22-5-2)6-12(14)7-15-8-16-12/h7-8H,4-6H2,1-3H3,(H,17,18)